Vitas-M small molecule compound
methyl 4-ethyl-2-({[4-(3-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-5-methylthiophene-3-carboxylate
Catalog ID
STK446347
SMILES COC(=O)c1c(NC(=S)N2CCN(CC2)c2cccc(c2)O)sc(c1CC)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H25N3O3S2 MW 419.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O3S2/c1-4-16-13(2)28-18(17(16)19(25)26-3)21-20(27)23-10-8-22(9-11-23)14-6-5-7-15(24)12-14/h5-7,12,24H,4,8-11H2,1-3H3,(H,21,27)InChIKey
KUVGZTQFSNQQOO-UHFFFAOYSA-NSynonyms
CCC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)C3=CC(=CC=C3)O)C
InChI=1SC20H25N3O3S2c141613(2)2818(17(16)19(25)263)2120(27)2310822(91123)1465715(24)1214h571224H4811H213H3(H2127)
methyl4ethyl2(((4(3hydroxyphenyl)piperazin1yl)carbonothioyl)amino)5methylthiophene3carboxylate
METHYL4ETHYL2(((4(3HYDROXYPHENYL)PIPERAZINYL)THIOXOMETHYL)AMINO)5METHYLTHIOPHENE3CARBOXYLATE
methyl4ethyl2((4(3hydroxyphenyl)piperazine1carbothioyl)amino)5methylthiophene3carboxylate
MFCD04058712
ZINC000006394602
ZINC06394602
ZINC6394602
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